6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione

C11H17N3O2 — CID 39894614

IUPAC6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H17N3O2/c1-8-2-4-14(5-3-8)7-9-6-10(15)13-11(16)12-9/h6,8H,2-5,7H2,1H3,(H2,12,13,15,16)
InChIKeyUZZMWFSMNOQSFP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.30
Rot. Bonds2

About 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione

6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 39894614) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID39894614
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H17N3O2/c1-8-2-4-14(5-3-8)7-9-6-10(15)13-11(16)12-9/h6,8H,2-5,7H2,1H3,(H2,12,13,15,16)
InChIKeyUZZMWFSMNOQSFP-UHFFFAOYSA-N
XLogP0.30
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 39894614) is 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione is CC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UZZMWFSMNOQSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-2-4-14(5-3-8)7-9-6-10(15)13-11(16)12-9/h6,8H,2-5,7H2,1H3,(H2,12,13,15,16).
What are the key properties of 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 39894614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).